[Joelib-help] SMARTS search

[Gerd M. <Ger...@sm...>]

Hi,

I'm trying to use subtructure search with SMARTS, but somehow 
it doesn't work. I do the following:

1. Load a Molecule from the SMILES string 'C1CCCCC1 .'
2. Create a SMARTS pattern with 'c1ccccc1'

But the match method returns false. I have to admit that I'm
not chemist but a computer scientist, so maybe I've overseen
something. But shouldn't the pattern match the given structure
since they are the same ?

Best Regards,
gerd

________________________________________________________________
Gerd Mueller                                    ge...@sm...     
SMB GmbH                                  http://www.smb-tec.com